2-[2-(4-tert-butylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]-N,N-diethyl-ethanamine

Systemtic Name: 2-[2-(4-tert-butylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]-N,N-diethyl-ethanamine Openeye Name: 2-[2-(4-tert-butylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]-N,N-diethyl-ethanamine CAS Name: 2-[2-[(4-tert-butylphenyl)thio]-3H-benzimidazol-1-ium-1-yl]-N,N-diethylethanamine IUPAC Name: 2-[2-(4-tert-butylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]-N,N-diethylethanamine Traditional Name: 2-[2-[(4-tert-butylphenyl)thio]-3H-benzimidazol-1-ium-1-yl]ethyl-diethyl-amine Formula: C23H32N3S+ MolecularWeight: 382.58528

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+]1=C(NC2=CC=CC=C21)SC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCN(CC)CC[N+]1=C(NC2=CC=CC=C21)SC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H31N3S/c1-6-25(7-2)16-17-26-21-11-9-8-10-20(21)24-22(26)27-19-14-12-18(13-15-19)23(3,4)5/h8-15H,6-7,16-17H2,1-5H3/p+1